input word = C00028547

Metabolite InformationStructural formula
Name Majusculamide C
Formula C50H80N8O12
Mw 984.58957008
CAS RN 83712-17-8
C_ID C00028547 ,
InChIKey KDZUJZSBNBCYEK-UHFFFAOYNA-N
InChICode InChI=1S/C50H80N8O12/c1-17-28(6)40-45(64)51-25-37(59)57(14)39(27(4)5)47(66)56(13)36(24-33-20-22-34(69-16)23-21-33)44(63)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(19-3)30(8)48(67)70-41(29(7)18-2)46(65)52-26-38(60)58(40)15/h20-23,27-32,35-36,39-41H,17-19,24-26H2,1-16H3,(H,51,64)(H,52,65)(H,53,63)(H,54,68)(H,55,62)/t28-,29+,30+,31-,32-,35-,36-,39-,40+,41-/m1/s1
SMILES C1(=O)C(C(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@@H](C(=O)N([C@@H](C(=O)N[C@@H]1C)Cc1ccc(cc1)OC)C)C(C)C)C)[C@H](C)CC)C)[C@H](CC)C)C)CC)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--AplysiidaeDolabella auricularia Ref.
--Lyngbya majuscula Ref.
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